In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
August 24th, 2007 | 27 | No |
Popular Name: 3-hydroxy-5-(4-iodophenyl)-1-(2-methoxyethyl)-4-(4-methylbenzoyl)-5H-pyrrol-2-one 3-hydroxy-5-(4-iodophenyl)-1-(2-…
Type pH range | xlogP | Des A‑Pol Apolar desolvation (kcal/mol) | Des Pol Polar desolvation (kcal/mol) | H Don H-bond donors | H Acc H-bond acceptors | Chg Net charge | tPSA (Ų) | MWT Molecular weight (g/mol) | RB Rotatable bonds | DL |
---|---|---|---|---|---|---|---|---|---|---|
Ref Reference (pH 7) | 3.89 | 9.42 | -40.59 | 0 | 5 | -1 | 70 | 476.29 | 6 | ↓ |
Mid Mid (pH 6-8) | 4.34 | 8.27 | -24.39 | 1 | 5 | 0 | 67 | 477.298 | 5 | ↓ |
Mid Mid (pH 6-8) | 3.31 | 9.24 | -17.11 | 0 | 5 | 0 | 64 | 477.298 | 6 | ↓ |